Information card for entry 7058700

Structure parameters

• Formula: C46 H58 Br4 Cl2 Fe2 N6 O10
• Calculated formula: C46 H58 Br4 Cl2 Fe2 N6 O10
• Title of publication: Impact of the Schiff base ligand substituents on the solid state and solution properties of eleven iron(iii) complexes
• Authors of publication: Pogány, Lukáš; Brachňaková, Barbora; Masárová, Petra; Moncol, Ján; Pavlik, Ján; Gál, Miroslav; Mazúr, Milan; Herchel, Radovan; Nemec, Ivan; Šalitroš, Ivan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13916
• a: 18.8416 ± 0.0003 Å
• b: 27.6317 ± 0.0004 Å
• c: 11.0612 ± 0.0002 Å
• α: 90°
• β: 99.769 ± 0.001°
• γ: 90°
• Cell volume: 5675.24 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No